Full input and output files for computationally docked structures of congeneric ligands similar to BDBM13174=997 in crystal structure 1TFT

1. BindingDB_44325.docklog.results_tab.log
2. BindingDB_44273.frags.mol2
3. BindingDB_44265.mol2
4. BindingDB_13166.docklog.mol2
5. 1TFT_congener-log.txt
6. BindingDB_50348207.docklog
7. BindingDB_44273.docklog
8. BindingDB_13176.docklog.mol2
9. BindingDB_13166.docklog.results_tab.log
10. prot-log.txt
11. BindingDB_44330.docklog.results_tab.log
12. BindingDB_44273.docklog.mol2
13. BindingDB_44263.docklog.results_tab.log
14. 1TFT-voxthresh-5.pdb
15. BindingDB_50348206.frags.mol2
16. BindingDB_13167.docklog.results_tab.log
17. BindingDB_13178.docklog.mol2
18. 1TFT-voxthresh-0.pdb
19. BindingDB_44294.mol2
20. 1TFT.csv
21. BindingDB_50348205.frags.mol2
22. BindingDB_50348206.docklog
23. BindingDB_44330.docklog.mol2
24. BindingDB_44325.mol2
25. BindingDB_13177.docklog
26. BindingDB_13174.mol2
27. 1TFT-protomol.mol2
28. BindingDB_44278.docklog.mol2
29. BindingDB_44294.docklog.results_tab.log
30. BindingDB_13174.docklog.results_tab.log
31. BindingDB_44264.docklog
32. BindingDB_44274.docklog.mol2
33. 1TFT_sdf-log.txt
34. BindingDB_13167.docklog.mol2
35. 1TFT-results_BindingDB_13176.mol2
36. BindingDB_13180.docklog
37. log-results.mol2
38. 1TFT-voxthresh-8.pdb
39. BindingDB_44265.docklog.mol2
40. BindingDB_13178.frags.mol2
41. BindingDB_13167.mol2
42. BindingDB_50348205.mol2
43. 1TFT-results_BindingDB_13166.mol2
44. 1TFT.mol2
45. BindingDB_44263.mol2
46. BindingDB_44274.docklog
47. BindingDB_13178.docklog.results_tab.log
48. BindingDB_13178.mol2
49. 1TFT.Targets
50. BindingDB_50348206.mol2
51. BindingDB_13174.docklog.mol2
52. 1TFT-voxthresh-10.pdb
53. BindingDB_44325.docklog.mol2
54. BindingDB_44263.docklog
55. BindingDB_50348207.mol2
56. BindingDB_50348207.docklog.results_tab.log
57. BindingDB_44325.frags.mol2
58. BindingDB_13177.docklog.mol2
59. log-results_tab.log
60. 1TFT-voxthresh-6.pdb
61. 1TFT-voxthresh-2.pdb
62. BindingDB_44278.docklog
63. BindingDB_44274.frags.mol2
64. BindingDB_44265.frags.mol2
65. 1TFT-voxthresh-4.pdb
66. BindingDB_44330.docklog
67. protein_sampling.mol2
68. bdb_1TFT_997_3D.sdf
69. 1TFT_ligand0.mol2
70. BindingDB_44264.docklog.results_tab.log
71. BindingDB_44325.docklog
72. BindingDB_44294.docklog.mol2
73. BindingDB_44294.docklog
74. BindingDB_44265.docklog
75. 997.sdf
76. log
77. BindingDB_13176.frags.mol2
78. 1TFT-voxthresh-3.pdb
79. BindingDB_13174.frags.mol2
80. BindingDB_44264.mol2
81. bdb_1TFT_997_sim.txt
82. BindingDB_13166.docklog
83. BindingDB_13176.mol2
84. 1TFT_congener.mol2
85. BindingDB_44273.docklog.results_tab.log
86. BindingDB_50348205.docklog
87. BindingDB_13180.docklog.results_tab.log
88. BindingDB_44294.frags.mol2
89. scale
90. BindingDB_44278.docklog.results_tab.log
91. BindingDB_50348205.docklog.mol2
92. 1TFT-marked-protein.pdb
93. frag2.mol2
94. BindingDB_13177.docklog.results_tab.log
95. BindingDB_44263.docklog.mol2
96. prot.mol2
97. BindingDB_44264.docklog.mol2
98. 1TFT_sdf.mol2
99. 1TFT.pdb
100. BindingDB_13174.docklog
101. BindingDB_13180.docklog.mol2
102. BindingDB_44278.frags.mol2
103. BindingDB_13166.frags.mol2
104. BindingDB_13167.frags.mol2
105. BindingDB_13180.frags.mol2
106. BindingDB_44263.frags.mol2
107. BindingDB_44274.mol2
108. BindingDB_50348206.docklog.results_tab.log
109. 1TFT-voxthresh-7.pdb
110. 1TFT-results_tab.log
111. BindingDB_13178.docklog
112. BindingDB_44265.docklog.results_tab.log
113. UnDockable.list
114. BindingDB_13180.mol2
115. BindingDB_44273.mol2
116. 1TFT-results_BindingDB_13177.mol2
117. 1TFT-results.mol2
118. BindingDB_44274.docklog.results_tab.log
119. BindingDB_44330.frags.mol2
120. 1TFT-results_BindingDB_13167.mol2
121. BindingDB_13177.frags.mol2
122. 1TFT-marked-vox.pdb
123. BindingDB_13166.mol2
124. BindingDB_44278.mol2
125. BindingDB_50348205.docklog.results_tab.log
126. BindingDB_13176.docklog
127. 1TFT-voxthresh-9.pdb
128. 1TFT-results_BindingDB_13174.mol2
129. 1TFT.opt-protein-trim.mol2
130. BindingDB_13176.docklog.results_tab.log
131. BindingDB_13177.mol2
132. 1TFT-voxthresh-1.pdb
133. BindingDB_44264.frags.mol2
134. BindingDB_44330.mol2
135. BindingDB_50348207.docklog.mol2
136. frag1.mol2
137. BindingDB_50348206.docklog.mol2
138. BindingDB_13167.docklog
139. BindingDB_50348207.frags.mol2